Molecule card · MolClass #36851
24791408
24791408: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 24791408Mitochondrial Fusion · compound_name
- MolClass ID
- 36851
- InChIKey
- MBHDWLMTFUZMBJ-UHFFFAOYSA-N
- Canonical SMILES
- Oc3nc(c1ccccc1)n4NC(=O)c2ccccc2c34
- Standard InChI
- InChI=1S/C16H11N3O2/c20-15-12-9-5-4-8-11(12)13-16(21)17-14(19(13)18-15)10-6-2-1-3-7-10/h1-9,21H,(H,18,20)
- Stored Murcko scaffold
- n1cc2c3ccccc3c[nH]n2c1-c4ccccc4
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 67.15 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 277.278 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.105
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Mitochondrial Fusion
Dataset #19 · 24791408